methyl (E)-3-[1-(4-methylphenyl)sulfonyl-4-phenyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(4-methylphenyl)sulfonyl-4-phenyl-pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-phenyl-1-(p-tolylsulfonyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(4-methylphenyl)sulfonyl-4-phenylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-(4-phenyl-1-tosyl-pyrrol-3-yl)acrylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CC=CC=C3)C=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CC=CC=C3)/C=C/C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-16-8-11-19(12-9-16)27(24,25)22-14-18(10-13-21(23)26-2)20(15-22)17-6-4-3-5-7-17/h3-15H,1-2H3/b13-10+